6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol

C11H22O6 — CID 166946963

IUPAC6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol
SMILESCCCC(C)OCC1OC(O)C(O)C(O)C1O
InChIInChI=1S/C11H22O6/c1-3-4-6(2)16-5-7-8(12)9(13)10(14)11(15)17-7/h6-15H,3-5H2,1-2H3
InChIKeyOLMSBLGXEXCWHP-UHFFFAOYSA-N
MW250.29 g/mol
LogP-1.01
Rot. Bonds5

About 6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol

6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 166946963) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is 6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol
PubChem CID166946963
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Name6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol
SMILESCCCC(C)OCC1OC(O)C(O)C(O)C1O
InChIInChI=1S/C11H22O6/c1-3-4-6(2)16-5-7-8(12)9(13)10(14)11(15)17-7/h6-15H,3-5H2,1-2H3
InChIKeyOLMSBLGXEXCWHP-UHFFFAOYSA-N
XLogP-1.01
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 44538637
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
(2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol
CID 102096103
(2S,3R,4S,5S,6R)-6-[(2,2,2-trichloro-1-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol
CID 86278245
(2R,5S)-6-ethyloxane-2,3,4,5-tetrol
CID 163614233
(2R,6S)-6-ethyloxane-2,3,4,5-tetrol
CID 138718011
(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol
CID 58340219
(6R)-6-ethyloxane-2,3,4,5-tetrol
CID 59974126
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 2-hydroxyoctanoate
CID 10805778
(2S,3R,4S,5R,6R)-6-(4-dodecoxybutoxymethyl)oxane-2,3,4,5-tetrol
CID 71653726
6-[(2-methylpropan-2-yl)oxymethyl]oxane-2,3,4,5-tetrol
CID 90907126
methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
CID 10399290

Frequently Asked Questions

What is the IUPAC name of 6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of 6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol (CID 166946963) is 6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for 6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for 6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol is CCCC(C)OCC1OC(O)C(O)C(O)C1O.
What is the InChIKey of 6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is OLMSBLGXEXCWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6/c1-3-4-6(2)16-5-7-8(12)9(13)10(14)11(15)17-7/h6-15H,3-5H2,1-2H3.
What are the key properties of 6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol?
6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 250.29 g/mol, XLogP of -1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 166946963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).